SCHEMBL17865507

SCHEMBL17865507

CC(C)(C)OC(=O)N1C[C@@H](CO)[C@H](c2ccc(F)cc2F)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.50
MC4R P32245 7/20 0.44
NR1H2 P55055 1/20 0.42
RORC P51449 1/20 0.41
NR3C2 P08235 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MC1R Q01726 3/20 0.41
GPR119 Q8TDV5 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MC3R P41968 3/20 0.40
MC5R P33032 2/20 0.40
KCNH2 Q12809 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4009937 0.86 PDE4B (0.49) PDE4BNR1H2RORCGPR119SMN1; SMN2
SCHEMBL14495534 0.86 PDE4B (0.49) PDE4BNR1H2RORCGPR119SMN1; SMN2
SCHEMBL14498549 0.86 PDE4B (0.49) PDE4BNR1H2RORCGPR119SMN1; SMN2
SCHEMBL6104661 0.84 PDE4B (0.57) PDE4BNR1H2RORCGPR119HTR2A
SCHEMBL13809446 0.84 PDE4B (0.57) PDE4BNR1H2RORCGPR119HTR2A
SCHEMBL4009383 0.84 PDE4B (0.57) PDE4BNR1H2RORCGPR119HTR2A
SCHEMBL1968429 0.84 DPP4 (0.46) PDE4BMC4RRORCNR3C2HDAC1
SCHEMBL4006824 0.83 PDE4B (0.59) PDE4BNR1H2RORCHDAC1HDAC2
SCHEMBL14498547 0.83 PDE4B (0.59) PDE4BNR1H2RORCHDAC1HDAC2
SCHEMBL14495668 0.83 PDE4B (0.59) PDE4BNR1H2RORCHDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP disclosed
US-9868731-B2 Indole amide compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2018-01-16 US disclosed
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-07 US disclosed
EP-3037412-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF PDE4B 2571/4885MC4R 1120/4885NR1H2 2105/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.